NUCLEAR MAGNETIC RESONANCE -- Contents -- CHAPTER 1 NMR Books and Reviews -- 1 Books -- 2 Regular Review Series -- 3 Edited Books and Symposia -- 4 Reviews in Periodicals -- 5 Reviews and Books in Foreign Languages -- CHAPTER 2 Theoretical and Physical Aspects of Nuclear Shielding -- 1 Theoretical Aspects of Nuclear Shielding -- 1.1 General Theory -- 1.2 Ab Initio Calculations -- 2 Physical Aspects of Nuclear Shielding -- 2.1 Anisotropy of the Shielding Tensor -- 2.2 Shielding Surfaces and Rovibrational Averaging -- 2.3 Isotope Shifts -- 2.4 Intermolecular Effects on Nuclear Shielding -- 2.5 Absolute Shielding -- 3 References -- CHAPTER 3 Applications of Nuclear Shielding -- 1 Introduction -- 2 Various Chemical and Physical Influences on Nuclear Shieldings -- 2.1 Computer Assisted Structural Assignment -- 2.1.1 Spectrum Simulation, Computer Assisted Assignments, and Related Techniques -- 2.1.2 Nuclear Shielding Calculations -- 2.2 Stereochemical Nuclear Shielding Non-Equivalence -- 2.2.1 Chirality Determination by Mosher's and Related Methods -- 2.2.2 Other Stereochemistry Determination -- 2.3 Isotope Effects -- 2.4 Substituent Effects -- 2.4.1 Proton Substituent Effects -- 2.4.2 Carbon and Heteroatom Substituent Effects -- 2.5 Intramolecular Hydrogen Bonding Effects and Related Effects -- 2.5.1 Proton Shifts -- 2.5.2 Heteronuclear Shifts -- 2.6 Bond Anisotrophy, Ring Current Effects and Aromaticity -- 2.7 Intermolecular Hydrogen Bonding Effects, Inclusion Phenomena and Related Effects -- 2.7.1 Proton and Heteronuclear Shifts -- 2.7.2 Cyclodextrins (CDs) -- 2.7.3 Other Molecular Recognition -- 2.8 Shift Reagents -- 2.9 Miscellaneous Topics -- 3 Shielding of Particular Nuclear Species -- 3.1 Group 1 (1H, 2H, 3H, 6,7Li, 23Na, 39K, 87Rb, 137Cs) -- 3.1.1 Hydrogen (1H) -- 3.1.2 Deuterium (2H) -- 3.1.3 Tritium (3H) -- 3.1.4 Lithium (6,7Li).

3.1.5 Sodium (23Na) -- 3.1.6 Potassium (39K) -- 3.1.7 Rubidium (85,87Rb) -- 3.1.8 Cesium (133Cs) -- 3.2 Group 2 (9Be, 25Mg) -- 3.2.1 Beryllium (9Be) -- 3.2.2 Magnesium (25Mg) -- 3.3 Group 3 and Lanthanoids (45Sc, 89Y, 139La, 171Yb) -- 3.3.1 Scandium (45Sc) -- 3.3.2 Yttrium (89Y) -- 3.3.3 Lanthanum (139La) -- 3.3.4 Lanthanides (141Pr, 171Yb) -- 3.4 Group 5 (51V, 93Nb) -- 3.4.1 Vanadium (51V) -- 3.4.2 Niobium (93Nb) -- 3.5 Group 6 (95Mo, 183W) -- 3.5.1 Molybdenum (95Mo) -- 3.5.2 Tungsten (183W) -- 3.6 Group 7 (55Mn, 99Tc) -- 3.6.1 Manganese (55Mn) -- 3.6.2 Technetium (99Tc) -- 3.7 Group 8 (57Fe, 187Os) -- 3.7.1 Iron(57Fe) -- 3.7.2 Osmium (187Os) -- 3.8 Group 9 (59Co, 103Rh) -- 3.8.1 Cobalt (59Co) -- 3.8.2 Rhodium (103Rh) -- 3.9 Group 10 (195Pt) -- 3.9.1 Platinum (195Pt) -- 3.10 Group 11 (63Cu, 109Ag) -- 3.10.1 Copper (63Cu) -- 3.10.2 Silver (109Ag) -- 3.11 Group 12 (67Zn, 133Cd, 99Hg) -- 3.11.1 Zinc(67Zn) -- 3.11.2 Cadmium (113Cd) -- 3.11.3 Mercury (199Hg) -- 3.12 Group 13 (11B, 27Al, 69,71 Ga, 115In, 205Tl) -- 3.12.1 Boron (11B) -- 3.12.2 Aluminium (27Al) -- 3.12.3 Gallium (69,71Ga) -- 3.12.4 Thallium (203,205Tl) -- 3.13 Group 14(l3C, 29Si, 73Ge, 119Sn, 207Pb) -- 3.13.1 Carbon (13C) -- 3.13.2 Silicon (29Si) -- 3.13.3 Tin(115,117,119Sn) -- 3.15.4 Lead(207Pb) -- 3.14 Group 15 (14,15N,31P) -- 3.14.1 Nitrogen (14,15N) -- 3.14.2 Phosphorus (31P) -- 3.15 Group 16 (17O,33S, 77Se, 125Te) -- 3.15.1 Oxygen (17O) -- 3.15.2 Sulfur (33S) -- 3.15.3 Selenium (77Se) -- 3.15.4 Tellurium (125Te) -- 3.16 Group 17(19F,35,37Cl) -- 3.16.1 Fluorine (19F) -- 3.16.2 Chlorine (35,37Cl) -- 3.16.3 Iodine (127I) -- 3.17 Group 18 (3He, 129,131Xe) -- 3.17.1 Helium (3He) -- 3.17.2 Xenon (128,131Xe) -- 4 References -- CHAPTER 4 Theoretical Aspects of Spin-Spin Couplings -- 1 Introduction -- 2 Ab Initio Calculations -- 2.1 Multiconfiguration Self-Consistent Field Calculation.

2.2 Coupled-Cluster Method -- 2.3 Hartree-Fock Calculation -- 3 Density Functional Theory -- 4 Empirical and Semiempirical Calculations -- 4.1 Semiempirical CLOPPA Approach -- 4.2 Correlation Between Spin-Spin Couplings and Local Electronic Structures -- 5 Conformational Analysis -- 6 References -- CHAPTER 5 Applications of Spin-Spin Couplings -- 1 Introduction -- 2 Methods -- 3 One-Bond Couplings to Hydrogen -- 4 One-Bond Couplings Not Involving Hydrogen -- 5 Two-Bond Couplings to Hydrogen -- 6 Two-Bond Couplings Not Involving Hydrogen -- 7 Three-Bond Hydrogen-Hydrogen Couplings -- 8 Three-Bond Couplings Between Hydrogen and Heteronuclei -- 9 Three-Bond Couplings Not Involving Hydrogen -- 10 Couplings Over More Than Three Bonds, and Through-Space -- 11 References -- CHAPTER 6 Nuclear Spin Relaxation in Liquids and Gases -- 1 Introduction -- 2 General, Physical and Experimental Aspects of Nuclear Spin Relaxation -- 2.1 General Aspects -- 2.2 Experimental Aspects -- 2.3 Relaxation in Coupled Spin Systems -- 2.4 Dipolar Couplings and Distance Information -- 2.5 Exchange Spectroscopy -- 2.6 Quadrupolar Interactions -- 2.7 Intermolecular Dipolar Interaction in Diamagnetic and Paramagnetic Solutions -- 2.8 Slow Motions in Glasses -- 2.9 Models for Molecular Dynamics -- 3 Selected Applications of Nuclear Spin Relaxation -- 3.1 Pure Liquids -- 3.2 Non-Electrolyte Solutions -- 3.3 Electrolyte Solutions -- 3.4 Transition Metal Complexes -- 4 Nuclear Spin Relaxation in Gases -- 5 Self-Diffusion in Liquids -- 5.1 Experimental and Theoretical Aspects -- 5.2 Selected Examples -- 6 References -- CHAPTER 7 Solid State NMR -- 1 Introduction -- 2 Technique Development -- 2.1 Theoretical -- 2.2 Experimental -- 3 Carbonaceous Materials -- 3.1 Coals, Pitches and Oil Shales -- 3.2 Fullerenes, Diamonds and Other Carbons -- 4 Organic Materials -- 4.1 General.

4.2 Organometallics -- 4.3 Bio-Organic -- 4.4 Liquid Crystals, Membranes, Bilayers, Cell Walls and Woods -- 5 Organic-Inorganic Materials -- 5.1 General -- 5.2 Polysiloxanes -- 5.3 Soils and Humic Acids -- 6 Inorganic Materials -- 6.1 General -- 6.2 Silicates and Aluminosilicates -- 6.3 Microporous and Mesoporous Materials -- 6.3.1 Silicate-based Systems -- 6.3.2 Other Structural Studies -- 6.3.3 In Situ and Surface Reactions -- 6.4 Glasses -- 6.5 Ceramics -- 7 Miscellaneous -- 7.1 General -- 7.2 Dynamics and Intercalates -- 8 References -- CHAPTER 8 Multiple Pulse NMR -- 1 Introduction -- 2 Variation of the Radiofrequency Pulse -- 2.1 Composite and Decoupling Pulses -- 2.2 Solvent Suppression -- 3 Homonuclear Correlation Spectroscopy -- 3.1 Homonuclear Correlation -- 4 Dipolar Coupling, Chemical Exchange and Relaxation Time Experiments -- 4.1 Dipolar Coupling and Chemical Exchange -- 4.2 Relaxation Time Measurements -- 5 Heteronuclear Experiments -- 5.1 Inverse Proton-Detected Correlation Spectroscopy -- 5.1.1 General -- 5.1.2 Heteronuclear Cross-Polarization Experiments -- 5.1.3 Isotope-Filtered Experiments -- 5.1.4 Isotope-Edited Experiments -- 5.2 Scalar Coupling Constants Using Heteronuclear Proton-Detection Experiments -- 6 Three- and Four-Dimensional NMR -- 6.1 Heteronuclear Triple (1H, 13C, 15N) Resonance Three-Dimensional Experiments -- 6.2 Three-dimensional 13C-1H or 15N-1H Experiments -- 6.3 Scalar Coupling Constants Using nD Heteronuclear Experiments With Proton-Detection -- 6.4 Homonuclear 3D Experiments -- 7 Analogues of nD Experiments -- 8 References -- CHAPTER 9 NMR of Natural Macromolecules -- 1 Introduction -- 2 Solution Structure Determination of Proteins -- 2.1 Landmark Protein Structures -- 2.2 NMR Spectroscopy of'Large'Proteins -- 2.3 Deuterium Incorporation for Linewidth Narrowing.

2.4 Selective Protonation Against a Deuteration Background -- 3 NMR Spectroscopy of Nucleic Acids -- 3.1 NMR of DNA -- 3.2 Protein-DNA Complexes -- 3.3 NMR of RNA -- 3.4 Protein-RNA Complexes -- 3.5 Aptamer RNA Complexes -- 3.6 An Aptamer DNA Complex -- 4 NMR of Protein-Protein and Other Ligand Interactions -- 5 Structure-Activity Relationships by NMR (SAR-by-NMR) -- 6 NMR Investigation of Macromolecular Solvation -- 7 Glycoproteins and Carbohydrate Binding -- 8 Technical Developments for Macromolecular NMR -- 8.1 Spin-Spin Couplings -- 8.1.1 Protein Coupling Constants -- 8.1.2 Nucleic Acid Coupling Constants -- 8.2 Direct Angle Measurements -- 8.3 Residual Dipolar Couplings -- 8.4 Adiabatic Decoupling -- 8.5 Side Chain Resonance Assignments -- 9 Miscellaneous Aspects of Protein Side Chains -- 10 Aspects of Protein Folding and Stability -- 10.1 Protein-Folding Pathways -- 10.2 Partially-Folded and Denatured States of Proteins -- 11 NMR Studies of Proton Solvent Exchange -- 12 New NMR Software -- 13 Aspects of Solution Structure Calculation -- 14 Nuclear Relaxation in Biological Macromolecules -- 14.1 Side Chain 13C Relaxation -- 14.2 Carbonyl 13C Relaxation -- 14.3 Rotational Diffusion Anisotropy -- 14.4 Conformational Restraints from Relaxation Data -- 14.5 Conformational Exchange -- 14.6 Theoretical Aspects -- 14.7 Applications of 15N and 13C Relaxation Measurements -- 14.8 Relaxation Studies of Other Nuclei -- 15 References -- CHAPTER 10 Synthetic Macromolecules -- 1 Introduction -- 2 Characterization of Primary Structure of Polymers -- 3 Characterization of the Synthetic Macromolecules in the Solid State -- 3.1 Solid State 13C NMR Studies for Synthetic Macromolecules -- 3.2 Solid State Multi-Nuclear NMR Studies for Synthetic Macromolecules -- 3.3 Determination of Geometrical Parameters by Solid State NMR.

4 Dynamics of the Synthetic Macromolecules in the Solid State.